title: Sigma/pi versus pi/pi conjugation: DFT studies on oligocyclopropenones and related systems.
abstract: DFT studies on oligocyclopropenones and related systems 5(n)-9(n) are reported. A strong sigma/pi interaction between the pi system and the sigma framework of the three-membered rings is observed in almost all cases, leading to a perpendicular arrangement of the pi systems in the most favored conformation. Also the shape of cyclic congeners is strongly influenced by sigma/pi interactions.
authors.affiliation: Institut für Organische und Biomolekulare Chemie der Georg-August-Universität Göttingen, Göttingen, Germany. dwerz@gwdg.de
authors.forename: Daniel B
authors.initials: DB
authors.lastname: Werz
authors.forename: Alexander
authors.initials: A
authors.lastname: Düfert